 | | MLH | | Name: | ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate | | Formula: | C20 H21 Br N2 O3 | | SMILES: | CCOC(=O)c1c(CN(C)C)n(c2ccccc2)c3cc(Br)c(O)cc13 | | InChi: | InChI=1S/C20H21BrN2O3/c1-4-26-20(25)19-14-10-18(24)15(21)11-16(14)23(17(19)12-22(2)3)13-8-6-5-7-9-13/h5-11,24H,4,12H2,1-3H3 | | Definition date: | 2019-10-17 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate |
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 | | MU5 | | Name: | ~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-(piperidin-1-ylcarbonylamino)pyrazine-2-carboxamide | | Formula: | C20 H23 N5 O2 | | SMILES: | O=C(Nc1nccnc1C(=O)NC2Cc3ccccc3C2)N4CCCCC4 | | InChi: | InChI=1S/C20H23N5O2/c26-19(23-16-12-14-6-2-3-7-15(14)13-16)17-18(22-9-8-21-17)24-20(27)25-10-4-1-5-11-25/h2-3,6-9,16H,1,4-5,10-13H2,(H,23,26)(H,22,24,27) | | Definition date: | 2019-10-22 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | ~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-(piperidin-1-ylcarbonylamino)pyrazine-2-carboxamide |
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 | | MUQ | | Name: | 4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide | | Formula: | C29 H34 N6 O6 S | | SMILES: | CNC(=O)N1CCN(CC1)C(=O)[CH](Cc2cccc(c2)C(N)=N)N[S](=O)(=O)c3cccc(c3)c4ccc(OC)cc4O | | InChi: | InChI=1S/C29H34N6O6S/c1-32-29(38)35-13-11-34(12-14-35)28(37)25(16-19-5-3-7-21(15-19)27(30)31)33-42(39,40)23-8-4-6-20(17-23)24-10-9-22(41-2)18-26(24)36/h3-10,15,17-18,25,33,36H,11-14,16H2,1-2H3,(H3,30,31)(H,32,38)/t25-/m0/s1 | | Definition date: | 2019-10-24 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | 4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide |
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 | | MUZ | | Name: | [(~{R})-(4-carbamimidoylphenyl)-[[(2~{S})-1-[(2~{R})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid | | Formula: | C35 H44 N5 O6 P S | | SMILES: | NC(=N)c1ccc(cc1)[CH](NC(=O)[CH]2CCCN2C(=O)[CH](CC3CCCCC3)N[S](=O)(=O)Cc4ccccc4)[P](O)Oc5ccccc5 | | InChi: | InChI=1S/C35H44N5O6PS/c36-32(37)27-18-20-28(21-19-27)34(47(43)46-29-15-8-3-9-16-29)38-33(41)31-17-10-22-40(31)35(42)30(23-25-11-4-1-5-12-25)39-48(44,45)24-26-13-6-2-7-14-26/h2-3,6-9,13-16,18-21,25,30-31,34,39,43H,1,4-5,10-12,17,22-24H2,(H3,36,37)(H,38,41)/t30-,31+,34-,47-/m1/s1 | | Definition date: | 2019-10-24 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | [(4-carbamimidoylphenyl)-[[(2~{S})-1-[(2~{R})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid |
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 | | MWT | | Name: | 1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one | | Formula: | C29 H36 N7 O2 S | | SMILES: | C[n+]1nn(cc1CCCCN)c2ccc(c(OCCN3CCNC3=O)c2)c4scc(CCc5ccccc5)n4 | | InChi: | InChI=1S/C29H35N7O2S/c1-34-25(9-5-6-14-30)20-36(33-34)24-12-13-26(27(19-24)38-18-17-35-16-15-31-29(35)37)28-32-23(21-39-28)11-10-22-7-3-2-4-8-22/h2-4,7-8,12-13,19-21H,5-6,9-11,14-18,30H2,1H3/p+1 | | Definition date: | 2019-10-28 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | 1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one |
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 | | MWW | | Name: | 4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine | | Formula: | C30 H38 N6 O S | | SMILES: | NCCCCc1cn(nn1)c2ccc(c(OCCC3CCNCC3)c2)c4scc(CCc5ccccc5)n4 | | InChi: | InChI=1S/C30H38N6OS/c31-16-5-4-8-25-21-36(35-34-25)27-11-12-28(29(20-27)37-19-15-24-13-17-32-18-14-24)30-33-26(22-38-30)10-9-23-6-2-1-3-7-23/h1-3,6-7,11-12,20-22,24,32H,4-5,8-10,13-19,31H2 | | Definition date: | 2019-10-28 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | 4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine |
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 | | MWZ | | Name: | 4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine | | Formula: | C31 H41 N6 O S | | SMILES: | C[n+]1nn(cc1CCCCN)c2ccc(c(OCCC3CCNCC3)c2)c4scc(CCc5ccccc5)n4 | | InChi: | InChI=1S/C31H41N6OS/c1-36-28(9-5-6-17-32)22-37(35-36)27-12-13-29(30(21-27)38-20-16-25-14-18-33-19-15-25)31-34-26(23-39-31)11-10-24-7-3-2-4-8-24/h2-4,7-8,12-13,21-23,25,33H,5-6,9-11,14-20,32H2,1H3/q+1 | | Definition date: | 2019-10-28 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | 4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine |
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 | | MXH | | Name: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino
]propanoyl]piperidin-4-yl]urea | | Formula: | C33 H41 F N6 O5 S | | SMILES: | CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)[CH](Cc2cccc(c2)C(N)=N)N[S](=O)(=O)c3cccc(c3)c4ccc(CO)c(F)c4 | | InChi: | InChI=1S/C33H41FN6O5S/c1-33(2,3)38-32(43)37-26-12-14-40(15-13-26)31(42)29(17-21-6-4-8-24(16-21)30(35)36)39-46(44,45)27-9-5-7-22(18-27)23-10-11-25(20-41)28(34)19-23/h4-11,16,18-19,26,29,39,41H,12-15,17,20H2,1-3H3,(H3,35,36)(H2,37,38,43)/t29-/m0/s1 | | Synonyms: | (S)-3-(3-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)-[1,1'-biphenyl])-3-sulfonamido)-3-ox
opropyl)benzimidamide | | Definition date: | 2019-10-29 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea |
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 | | MZE | | Name: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea | | Formula: | C33 H42 N8 O4 S | | SMILES: | CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)[CH](Cc2cccc(c2)C(N)=N)N[S](=O)(=O)c3cccc(c3)c4cccc(c4)C(N)=N | | InChi: | InChI=1S/C33H42N8O4S/c1-33(2,3)39-32(43)38-26-13-15-41(16-14-26)31(42)28(18-21-7-4-10-24(17-21)29(34)35)40-46(44,45)27-12-6-9-23(20-27)22-8-5-11-25(19-22)30(36)37/h4-12,17,19-20,26,28,40H,13-16,18H2,1-3H3,(H3,34,35)(H3,36,37)(H2,38,39,43)/t28-/m0/s1 | | Definition date: | 2019-10-29 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea |
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 | | NZ5 | | Name: | (2~{R})-butane-1,2-diol | | Formula: | C4 H10 O2 | | SMILES: | CC[CH](O)CO | | InChi: | InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1 | | Definition date: | 2020-01-13 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | (2~{R})-butane-1,2-diol |
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 | | NZ8 | | Name: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea | | Formula: | C25 H15 Cl F3 N5 O3 | | SMILES: | FC(F)(F)c1cc(NC(=O)Nc2ccc3N(C(=O)c4cccnc4Oc3c2)c5ccncc5)ccc1Cl | | InChi: | InChI=1S/C25H15ClF3N5O3/c26-19-5-3-14(12-18(19)25(27,28)29)32-24(36)33-15-4-6-20-21(13-15)37-22-17(2-1-9-31-22)23(35)34(20)16-7-10-30-11-8-16/h1-13H,(H2,32,33,36) | | Definition date: | 2020-01-13 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea |
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 | | O3W | | Name: | ~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide | | Formula: | C10 H13 N O S | | SMILES: | CN(CCS)C(=O)c1ccccc1 | | InChi: | InChI=1S/C10H13NOS/c1-11(7-8-13)10(12)9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3 | | Definition date: | 2020-01-27 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | ~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
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 | | O4E | | Name: | 3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide | | Formula: | C10 H12 Br N O S | | SMILES: | CN(CCS)C(=O)c1cccc(Br)c1 | | InChi: | InChI=1S/C10H12BrNOS/c1-12(5-6-14)10(13)8-3-2-4-9(11)7-8/h2-4,7,14H,5-6H2,1H3 | | Definition date: | 2020-01-30 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | 3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
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 | | O68 | | Name: | 4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide | | Formula: | C10 H12 F N O S | | SMILES: | CN(CCS)C(=O)c1ccc(F)cc1 | | InChi: | InChI=1S/C10H12FNOS/c1-12(6-7-14)10(13)8-2-4-9(11)5-3-8/h2-5,14H,6-7H2,1H3 | | Definition date: | 2020-02-11 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | 4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
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 | | O85 | | Name: | 3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide | | Formula: | C10 H12 F N O S | | SMILES: | CN(CCS)C(=O)c1cccc(F)c1 | | InChi: | InChI=1S/C10H12FNOS/c1-12(5-6-14)10(13)8-3-2-4-9(11)7-8/h2-4,7,14H,5-6H2,1H3 | | Definition date: | 2020-02-19 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | 3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
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 | | TIU | | Name: | tricarbonodiimidic diamide | | Formula: | C3 H6 N4 O3 | | SMILES: | NC(NC(=O)NC(N)=O)=O | | InChi: | InChI=1S/C3H6N4O3/c4-1(8)6-3(10)7-2(5)9/h(H6,4,5,6,7,8,9,10) | | Definition date: | 2020-06-24 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | tricarbonodiimidic diamide |
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 | | TKY | | Name: | 14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate | | Formula: | C62 H79 F2 N9 O12 | | SMILES: | C(OCCOCCOCCOCCOCCOc4cc1c(CC(N(C(=O)C(NC(C(C)NC)=O)C(C)(C)C)C1)C(=O)NC3c2c(cccc2)CCC3)cc4)(N8CCCC(n7c(c(C(N)=O)c(c6ccc(Oc5ccc(F)cc5F)cc6)n7)N)C8)=O | | InChi: | InChI=1S/C62H79F2N9O12/c1-39(67-5)58(75)69-55(62(2,3)4)60(77)72-37-43-34-47(21-17-42(43)35-51(72)59(76)68-50-14-8-11-40-10-6-7-13-48(40)50)83-32-30-81-28-26-79-24-25-80-27-29-82-31-33-84-61(78)71-23-9-12-45(38-71)73-56(65)53(57(66)74)54(70-73)41-15-19-46(20-16-41)85-52-22-18-44(63)36-49(52)64/h6-7,10,13,15-22,34,36,39,45,50-51,55,67H,8-9,11-12,14,23-33,35,37-38,65H2,1-5H3,(H2,66,74)(H,68,76)(H,69,75)/t39-,45+,50+,51-,55+/m0/s1 | | Definition date: | 2020-03-24 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | 14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate |
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 | | TL7 | | Name: | [5-({[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate | | Formula: | C58 H65 F2 N11 O8 | | SMILES: | c1cccc2C(CCCc12)NC(C3Cc4c(CN3C(C(C(C)(C)C)NC(C(C)NC)=O)=O)cc(cc4)OCc9cnc(COC(N5CCCC(C5)n6c(c(c(n6)c7ccc(cc7)Oc8ccc(F)cc8F)C(N)=O)N)=O)cn9)=O | | InChi: | InChI=1S/C58H65F2N11O8/c1-33(63-5)54(73)67-51(58(2,3)4)56(75)70-29-37-24-43(21-17-36(37)25-47(70)55(74)66-46-14-8-11-34-10-6-7-13-44(34)46)77-31-39-27-65-40(28-64-39)32-78-57(76)69-23-9-12-41(30-69)71-52(61)49(53(62)72)50(68-71)35-15-19-42(20-16-35)79-48-22-18-38(59)26-45(48)60/h6-7,10,13,15-22,24,26-28,33,41,46-47,51,63H,8-9,11-12,14,23,25,29-32,61H2,1-5H3,(H2,62,72)(H,66,74)(H,67,73)/t33-,41+,46+,47-,51+/m0/s1 | | Definition date: | 2020-03-25 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | [5-({[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate |
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 | | ULJ | | Name: | 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide | | Formula: | C18 H17 Br F N5 O3 | | SMILES: | COc3ccc(OC)c(NC(=O)c2c(N)n(Cc1c(F)cc(cc1)Br)nn2)c3 | | InChi: | InChI=1S/C18H17BrFN5O3/c1-27-12-5-6-15(28-2)14(8-12)22-18(26)16-17(21)25(24-23-16)9-10-3-4-11(19)7-13(10)20/h3-8H,9,21H2,1-2H3,(H,22,26) | | Definition date: | 2020-05-21 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
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 | | V6G | | Name: | 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one | | Formula: | C48 H48 F2 N10 O5 | | SMILES: | c23cc(C1CCOC(C)(C)C1)ccc2n(c(c3)C(N9CCc8c(c(N4C(N(C=C4)c5c(c6c(cc5)n(C)nc6)F)=O)n(c7cc(C)c(c(c7)C)F)n8)C9C)=O)C%11(C=%10NC(=O)ON=%10)CC%11C | | InChi: | InChI=1S/C48H48F2N10O5/c1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44/h8-11,15-16,18-21,24,27-28,30H,12-14,17,22-23H2,1-7H3,(H,52,54,62)/t27-,28-,30-,48-/m0/s1 | | Definition date: | 2020-07-08 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one |
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 | | V7M | | Name: | 1-fluoro-3,5-dimethylbenzene | | Formula: | C8 H9 F | | SMILES: | Cc1cc(cc(c1)C)F | | InChi: | InChI=1S/C8H9F/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3 | | Definition date: | 2020-07-13 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | 1-fluoro-3,5-dimethylbenzene |
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 | | VB3 | | Name: | 2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol | | Formula: | C16 H25 N O | | SMILES: | CC(NCc1ccccc1O)CC2CCCCC2 | | InChi: | InChI=1S/C16H25NO/c1-13(11-14-7-3-2-4-8-14)17-12-15-9-5-6-10-16(15)18/h5-6,9-10,13-14,17-18H,2-4,7-8,11-12H2,1H3/t13-/m0/s1 | | Definition date: | 2019-05-17 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 | | Identifier: | 2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol |
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 | | VFY | | Name: | methyl (4~{R})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate | | Formula: | C16 H16 F3 N2 O4 | | SMILES: | COC(=O)C1=C(C)NC(=C([CH]1c2ccccc2C(F)(F)F)[N+]([OH-])=O)C | | InChi: | InChI=1S/C16H16F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20,23H,1-3H3/t13-/m1/s1 | | Definition date: | 2020-08-10 | | Last modified: | 2020-11-13 | | Release date: | 2020-11-18 |
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 | | VZM | | Name: | N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea | | Formula: | C11 H11 N3 O2 S | | SMILES: | N(c1cccs1)C(=O)Nc2cnc(cc2)OC | | InChi: | InChI=1S/C11H11N3O2S/c1-16-9-5-4-8(7-12-9)13-11(15)14-10-3-2-6-17-10/h2-7H,1H3,(H2,13,14,15) | | Definition date: | 2020-09-24 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea |
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 | | VZS | | Name: | N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea | | Formula: | C11 H13 N5 O2 | | SMILES: | N(n1cnnc1)C(=O)Nc2cc(C)ccc2OC | | InChi: | InChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17) | | Definition date: | 2020-09-24 | | Last modified: | 2020-11-06 | | Release date: | 2020-11-11 | | Identifier: | N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea |
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